1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea

C14H21N3O — CID 112980511

IUPAC1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
SMILESCCC(C)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C14H21N3O/c1-3-10(2)15-11-4-6-12(7-5-11)16-14(18)17-13-8-9-13/h4-7,10,13,15H,3,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyRFUVRMVPRICFMO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.18
Rot. Bonds5

About 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea

1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea (PubChem CID 112980511) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
PubChem CID112980511
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
SMILESCCC(C)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C14H21N3O/c1-3-10(2)15-11-4-6-12(7-5-11)16-14(18)17-13-8-9-13/h4-7,10,13,15H,3,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyRFUVRMVPRICFMO-UHFFFAOYSA-N
XLogP3.18
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 95116221
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-butan-2-yl-3-cyclopropylurea
CID 45366532
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192

Frequently Asked Questions

What is the IUPAC name of 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea (CID 112980511) is 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea is CCC(C)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea?
The InChIKey is RFUVRMVPRICFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-10(2)15-11-4-6-12(7-5-11)16-14(18)17-13-8-9-13/h4-7,10,13,15H,3,8-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea?
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea has a molecular weight of 247.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea is sourced from PubChem (CID 112980511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).